6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide

C7H9N3OS — CID 142413968

IUPAC6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
SMILES[H]N=S1(=O)Cc2ncnc(C)c2C1
InChIInChI=1S/C7H9N3OS/c1-5-6-2-12(8,11)3-7(6)10-4-9-5/h4,8H,2-3H2,1H3
InChIKeySRCDOJAUGVYEME-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.85
Rot. Bonds

About 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide

6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide (PubChem CID 142413968) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide.

Molecular Properties

Compound Name6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
PubChem CID142413968
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
SMILES[H]N=S1(=O)Cc2ncnc(C)c2C1
InChIInChI=1S/C7H9N3OS/c1-5-6-2-12(8,11)3-7(6)10-4-9-5/h4,8H,2-3H2,1H3
InChIKeySRCDOJAUGVYEME-UHFFFAOYSA-N
XLogP0.85
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The IUPAC name of 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide (CID 142413968) is 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide.
What is the SMILES notation for 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The canonical SMILES for 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide is [H]N=S1(=O)Cc2ncnc(C)c2C1.
What is the InChIKey of 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The InChIKey is SRCDOJAUGVYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-5-6-2-12(8,11)3-7(6)10-4-9-5/h4,8H,2-3H2,1H3.
What are the key properties of 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide has a molecular weight of 183.24 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide is sourced from PubChem (CID 142413968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).